4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide Openeye Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide CAS Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethylbutanamide IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylbutanamide Traditional Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-butyramide Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4OS/c1-21-10-14-24(15-11-21)27-30-31-28(32(27)25-16-12-22(2)13-17-25)34-20-6-9-26(33)29-19-18-23-7-4-3-5-8-23/h3-5,7-8,10-17H,6,9,18-20H2,1-2H3,(H,29,33)